SCHEMBL3301142

SCHEMBL3301142

Cc1ccc(C(=O)Nc2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
POLB P06746 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ACKR3 P25106 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13390574 0.81 KCNQ3 (0.51) RAB9ANPC1ALDH1A1POLBSMN1; SMN2
SCHEMBL16533843 0.80 KMT2A (0.46) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL29610510 0.79 CXCR2 (0.40) RAB9ANPC1ALDH1A1PDGFRBKDR
SCHEMBL24312279 0.79 CXCR2 (0.40) RAB9ANPC1ALDH1A1PDGFRBKDR
SCHEMBL15937424 0.79 PLG (0.42) RAB9ANPC1PTGDR2F2F10
SCHEMBL12797362 0.78 ALDH1A1 (0.43) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4053413 0.78 GAA (0.48) LMNAGAA
SCHEMBL13197996 0.77 NPC1 (0.57) RAB9ANPC1ALDH1A1KDM4EPOLB
SCHEMBL3228174 0.75 CXCR2 (0.55) RAB9ANPC1SMN1; SMN2KMT2ACXCR2
SCHEMBL18989163 0.75 LIPE (0.38) RAB9ANPC1POLBSMN1; SMN2PKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093765-A1 NOVEL COMPOUNDS CALLAHAN JAMES F 2010-04-15 US disclosed
US-20100093766-A1 NOVEL COMPOUNDS CALLAHAN JAMES F 2010-04-15 US disclosed
US-7674789-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-03-09 US disclosed
US-20090318424-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-24 US disclosed
US-20090239846-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2009-09-24 US disclosed
EP-2032142-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-11 EP disclosed
WO-2007147109-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 WO disclosed
EP-1866311-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-19 EP disclosed
US-20060235030-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
WO-2006104889-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-10-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100093766-A1 NOVEL COMPOUNDS MAPKAPK2, MAPKAPK3, CDC42BPB RAB9A 1510/4885NPC1 1584/4885PTGDR2 2630/4885
US-20090239846-A1 Novel Compounds MAPKAPK2, MAPKAPK3, CDC42BPB RAB9A 1510/4885NPC1 1584/4885PTGDR2 2630/4885
US-20060235030-A1 Novel compounds MAPKAPK2, MAPKAPK3, CDC42BPB RAB9A 1510/4885NPC1 1584/4885PTGDR2 2630/4885
US-20100093765-A1 NOVEL COMPOUNDS MAPKAPK2, MAPKAPK3, CDC42BPB RAB9A 1510/4885NPC1 1584/4885PTGDR2 2630/4885
US-20090318424-A1 NOVEL COMPOUNDS MAPKAPK2, MAPKAPK3, CDC42BPB RAB9A 1510/4885NPC1 1584/4885PTGDR2 2630/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.